LAMMPS (8 Apr 2021)
  using 1 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

units		lj
atom_style	atomic

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962
region		box block 0 10 0 10 0 10
create_box	1 box
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (16.795962 16.795962 16.795962)
  1 by 2 by 2 MPI processor grid
create_atoms	1 box
Created 4000 atoms
  create_atoms CPU = 0.001 seconds
mass		1 1.0

velocity	all create 3.0 87287 loop geom

pair_style	lj/cut 2.5
pair_coeff	1 1 1.0 1.0 2.5

neighbor	0.3 bin
neigh_modify	every 20 delay 0 check no

fix		1 all nve

#dump		id all atom 50 dump.melt

#dump		2 all image 25 image.*.jpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3

#dump		3 all movie 25 movie.mpg type type #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3

thermo		50
run		250
Neighbor list info ...
  update every 20 steps, delay 0 steps, check no
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 12 12 12
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 2.706 | 2.706 | 2.706 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            3   -6.7733681            0   -2.2744931   -3.7033504 
      50    1.6842865   -4.8082494            0   -2.2824513    5.5666131 
     100    1.6712577   -4.7875609            0    -2.281301    5.6613913 
     150    1.6444751   -4.7471034            0   -2.2810074    5.8614211 
     200    1.6471542   -4.7509053            0   -2.2807916    5.8805431 
     250    1.6645597   -4.7774327            0   -2.2812174    5.7526089 
Loop time of 0.490832 on 4 procs for 250 steps with 4000 atoms

Performance: 220034.754 tau/day, 509.340 timesteps/s
96.7% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.35932    | 0.37256    | 0.38746    |   1.9 | 75.90
Neigh   | 0.035928   | 0.038449   | 0.042344   |   1.3 |  7.83
Comm    | 0.053452   | 0.068917   | 0.08485    |   5.3 | 14.04
Output  | 0.00015545 | 0.00023746 | 0.00047684 |   0.0 |  0.05
Modify  | 0.0096958  | 0.0097951  | 0.0098989  |   0.1 |  2.00
Other   |            | 0.0008721  |            |       |  0.18

Nlocal:        1000.00 ave        1008 max         987 min
Histogram: 1 0 0 0 0 0 1 0 1 1
Nghost:        2711.25 ave        2728 max        2693 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs:        37947.0 ave       38966 max       37338 min
Histogram: 1 1 0 1 0 0 0 0 0 1

Total # of neighbors = 151788
Ave neighs/atom = 37.947000
Neighbor list builds = 12
Dangerous builds not checked
Total wall time: 0:00:00
